4-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-2-amine

C19H22ClFN2 — CID 22038206

IUPAC4-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-2-amine
SMILESNC1CC(c2cccc(Cl)c2)CCN1CCc1ccc(F)cc1
InChIInChI=1S/C19H22ClFN2/c20-17-3-1-2-15(12-17)16-9-11-23(19(22)13-16)10-8-14-4-6-18(21)7-5-14/h1-7,12,16,19H,8-11,13,22H2
InChIKeyPSDLSOFKWDXGQC-UHFFFAOYSA-N
MW332.85 g/mol
LogP4.19
Rot. Bonds4

About 4-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-2-amine

4-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-2-amine (PubChem CID 22038206) has the molecular formula C19H22ClFN2 and a molecular weight of 332.85 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-2-amine
PubChem CID22038206
Molecular FormulaC19H22ClFN2
Molecular Weight332.85 g/mol
Exact Mass332.15
IUPAC Name4-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-2-amine
SMILESNC1CC(c2cccc(Cl)c2)CCN1CCc1ccc(F)cc1
InChIInChI=1S/C19H22ClFN2/c20-17-3-1-2-15(12-17)16-9-11-23(19(22)13-16)10-8-14-4-6-18(21)7-5-14/h1-7,12,16,19H,8-11,13,22H2
InChIKeyPSDLSOFKWDXGQC-UHFFFAOYSA-N
XLogP4.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-2-amine?
The IUPAC name of 4-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-2-amine (CID 22038206) is 4-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-2-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-2-amine?
The canonical SMILES for 4-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-2-amine is NC1CC(c2cccc(Cl)c2)CCN1CCc1ccc(F)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-2-amine?
The InChIKey is PSDLSOFKWDXGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2/c20-17-3-1-2-15(12-17)16-9-11-23(19(22)13-16)10-8-14-4-6-18(21)7-5-14/h1-7,12,16,19H,8-11,13,22H2.
What are the key properties of 4-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-2-amine?
4-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-2-amine has a molecular weight of 332.85 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-2-amine is sourced from PubChem (CID 22038206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).